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2,5-Dithiabicyclo[4.4.1]undeca-3,6,8,10-tetraene
SpectraBase Compound ID JRvOwSlkKkT
InChI InChI=1S/C9H8S2/c1-2-4-9-7-8(3-1)10-5-6-11-9/h1-6H,7H2
InChIKey GAKVLHLCWOWLIW-UHFFFAOYSA-N
Mol Weight 180.28 g/mol
Molecular Formula C9H8S2
Exact Mass 180.006743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gg6pxnqvDM2
Name 2,5-Dithiabicyclo[4.4.1]undeca-3,6,8,10-tetraene
CAS Registry Number 85616-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8S2
InChI InChI=1S/C9H8S2/c1-2-4-9-7-8(3-1)10-5-6-11-9/h1-6H,7H2
InChIKey GAKVLHLCWOWLIW-UHFFFAOYSA-N
Molecular Weight 180.283 g/mol
SMILES C=12SC=CSC(C2)=CC=CC1
SPLASH splash10-0002-0900000000-5bb33a4b33daf0f0b1f1
Source of Spectrum J-50-184-13
Synonyms 2,5-Dithiabicyclo[4.4.1]undeca-1(10),3,6,8-tetraene 7,10-Dithiabicyclo[4.4.1]undeca-1,3,5,8-tetraene
Wiley ID 1175947